N-[6-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide

C18H13F5N6O2 — CID 123728009

About N-[6-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide

N-[6-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide (PubChem CID 123728009) has the molecular formula C18H13F5N6O2 and a molecular weight of 440.33 g/mol. Its IUPAC name is N-[6-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
• PubChem CID: 123728009
• Molecular Formula: C18H13F5N6O2
• Molecular Weight: 440.33 g/mol
• Exact Mass: 440.10
• IUPAC Name: N-[6-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
• SMILES: CC1(c2nc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)OC(C(F)(F)F)C1F
• InChI: InChI=1S/C18H13F5N6O2/c1-17(12(20)14(18(21,22)23)31-16(25)29-17)13-9(19)3-5-11(27-13)28-15(30)10-4-2-8(6-24)7-26-10/h2-5,7,12,14H,1H3,(H2,25,29)(H,27,28,30)
• InChIKey: ONDYYYPIGRXDRW-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 126.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.33
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide?

The IUPAC name of N-[6-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide (CID 123728009) is N-[6-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide.

What is the SMILES notation for N-[6-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide?

The canonical SMILES for N-[6-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide is CC1(c2nc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)OC(C(F)(F)F)C1F.

What is the InChIKey of N-[6-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide?

The InChIKey is ONDYYYPIGRXDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F5N6O2/c1-17(12(20)14(18(21,22)23)31-16(25)29-17)13-9(19)3-5-11(27-13)28-15(30)10-4-2-8(6-24)7-26-10/h2-5,7,12,14H,1H3,(H2,25,29)(H,27,28,30).

What are the key properties of N-[6-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide?

N-[6-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide has a molecular weight of 440.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 123728009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).